N-(2-ethylphenyl)-2-[4-[2-(4-fluorophenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-(4-fluorophenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-(4-fluorophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[2-[(4-fluorophenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[2-(4-fluorophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[2-[(4-fluorophenyl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H27FN3O2S+ MolecularWeight: 416.532083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O2S/c1-2-17-5-3-4-6-20(17)24-21(27)15-25-11-13-26(14-12-25)22(28)16-29-19-9-7-18(23)8-10-19/h3-10H,2,11-16H2,1H3,(H,24,27)/p+1